5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline

C16H13Br2N3 — CID 63494896

IUPAC5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1cc(Br)ccc1-c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C16H13Br2N3/c17-9-1-5-12(13(19)7-9)16-20-14-8-10(18)2-6-15(14)21(16)11-3-4-11/h1-2,5-8,11H,3-4,19H2
InChIKeyZGDVSSGOZQMKPX-UHFFFAOYSA-N
MW407.11 g/mol
LogP5.15
Rot. Bonds2

About 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline

5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline (PubChem CID 63494896) has the molecular formula C16H13Br2N3 and a molecular weight of 407.11 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
PubChem CID63494896
Molecular FormulaC16H13Br2N3
Molecular Weight407.11 g/mol
Exact Mass404.95
IUPAC Name5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1cc(Br)ccc1-c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C16H13Br2N3/c17-9-1-5-12(13(19)7-9)16-20-14-8-10(18)2-6-15(14)21(16)11-3-4-11/h1-2,5-8,11H,3-4,19H2
InChIKeyZGDVSSGOZQMKPX-UHFFFAOYSA-N
XLogP5.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.11
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-(1-cyclopropyl-5-methylbenzimidazol-2-yl)aniline
CID 62073991
2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
CID 60837055
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
5-bromo-2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60917069
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 82809543
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
5-bromo-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)aniline
CID 61377446
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 136751399
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380198

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline?
The IUPAC name of 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline (CID 63494896) is 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline?
The canonical SMILES for 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline is Nc1cc(Br)ccc1-c1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline?
The InChIKey is ZGDVSSGOZQMKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3/c17-9-1-5-12(13(19)7-9)16-20-14-8-10(18)2-6-15(14)21(16)11-3-4-11/h1-2,5-8,11H,3-4,19H2.
What are the key properties of 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline?
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline has a molecular weight of 407.11 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 63494896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).